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87699-06-7 | 1H-Benzo[c]quinolizine-5,5(6H)-dicarbonitrile, 2,3,4,4a-tetrahydro-
CAS No: 87699-06-7 Catalog No: AG004JND MDL No:
Product Description
Catalog Number:
AG004JND
Chemical Name:
1H-Benzo[c]quinolizine-5,5(6H)-dicarbonitrile, 2,3,4,4a-tetrahydro-
CAS Number:
87699-06-7
Molecular Formula:
C15H15N3
Molecular Weight:
237.2997
IUPAC Name:
1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
InChI:
InChI=1S/C15H15N3/c16-10-15(11-17)9-12-5-1-2-6-13(12)18-8-4-3-7-14(15)18/h1-2,5-6,14H,3-4,7-9H2
InChI Key:
LEPDRWOYLDUYHW-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)Cc2ccccc2N2C1CCCC2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
237.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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